3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

C23H30FN5O — CID 123132983

IUPAC3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1C1NNC2CNC(c3cnccc3OCC3CCNCC3)CC21
InChIInChI=1S/C23H30FN5O/c24-19-4-2-1-3-16(19)23-17-11-20(27-13-21(17)28-29-23)18-12-26-10-7-22(18)30-14-15-5-8-25-9-6-15/h1-4,7,10,12,15,17,20-21,23,25,27-29H,5-6,8-9,11,13-14H2
InChIKeyOHPZUDHVSROMOQ-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.47
Rot. Bonds5

About 3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 123132983) has the molecular formula C23H30FN5O and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID123132983
Molecular FormulaC23H30FN5O
Molecular Weight411.53 g/mol
Exact Mass411.24
IUPAC Name3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1C1NNC2CNC(c3cnccc3OCC3CCNCC3)CC21
InChIInChI=1S/C23H30FN5O/c24-19-4-2-1-3-16(19)23-17-11-20(27-13-21(17)28-29-23)18-12-26-10-7-22(18)30-14-15-5-8-25-9-6-15/h1-4,7,10,12,15,17,20-21,23,25,27-29H,5-6,8-9,11,13-14H2
InChIKeyOHPZUDHVSROMOQ-UHFFFAOYSA-N
XLogP2.47
TPSA70.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 123132983) is 3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is Fc1ccccc1C1NNC2CNC(c3cnccc3OCC3CCNCC3)CC21.
What is the InChIKey of 3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is OHPZUDHVSROMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O/c24-19-4-2-1-3-16(19)23-17-11-20(27-13-21(17)28-29-23)18-12-26-10-7-22(18)30-14-15-5-8-25-9-6-15/h1-4,7,10,12,15,17,20-21,23,25,27-29H,5-6,8-9,11,13-14H2.
What are the key properties of 3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 411.53 g/mol, XLogP of 2.47, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[4-(piperidin-4-ylmethoxy)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 123132983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).